AG019ENR

225122-33-8 | tert-Butyl (1-((cyanomethyl)carbamoyl)cyclohexyl)carbamate

AG019ENR

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CAS Number	225122-33-8
Catalog Number	AG019ENR
Chemical Name	tert-Butyl (1-((cyanomethyl)carbamoyl)cyclohexyl)carbamate
IUPAC Name	tert-butyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
InChI	InChI=1S/C14H23N3O3/c1-13(2,3)20-12(19)17-14(7-5-4-6-8-14)11(18)16-10-9-15/h4-8,10H2,1-3H3,(H,16,18)(H,17,19)
InChI Key	PSVFZBCOZRVPDI-UHFFFAOYSA-N
MDL Number	MFCD24392169
Molecular Formula	C14H23N3O3
Molecular Weight	281.3507
SMILES	CC(C)(C)OC(=O)NC1(CCCCC1)C(=O)NCC#N
Synonyms	225122-33-8, tert-Butyl (1-((cyanomethyl)carbamoyl)cyclohexyl)carbamate, SCHEMBL6184240, MFCD24392169, ZINC35804275, AKOS030529289, CS-0059819, tert-butyl N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}carbamate, N-[1-[[(Cyanomethyl)amino]carbonyl]cyclohexyl]-carbamic acid 1,1-dimethylethyl ester, CID11558227, tert-butyl 1-((cyanomethyl)carbamoyl)cyclohexylcarbamate, Tert-butyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate,

Complexity	411
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.174g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.356g/mol
Monoisotopic Mass	281.174g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	91.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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